%chk=000169701.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169701

0 1
 O    3.652300      -1.665500      -1.431400    
 O    4.323200       1.105600       2.155700    
 O   -3.780600      -1.365800       1.002100    
 O   -4.258700       1.050900     -0.2821000    
 N    2.465100      0.7258000      0.7903000    
 N    4.336900     -0.4062000      0.3902000    
 C    2.111700     -9.9399999E-02 -0.3502000    
 C    1.766000      0.7376000      -1.580700    
 C   0.9925000      -1.090400     -1.5500000E-02
 C   0.4800000       1.536800      -1.369500    
 C  -0.3890000     -0.4831000     -8.3099999E-02
 C  -0.6346000      0.7297000     -0.7528000    
 C    3.440200     -0.8352000     -0.5576000    
 C    3.778100      0.5376000       1.219500    
 C   -1.462300      -1.180500      0.4932000    
 C   -1.942800       1.236100     -0.8013000    
 C   -2.758700     -0.6710000      0.4291000    
 C   -2.998500      0.5381000     -0.2160000    
 C   -4.457500      -2.316900      0.1826000    
 C   -4.663100       1.915700      0.7775000    
 H    1.639600      7.4600004E-02  -2.447700    
 H    2.582600       1.424500      -1.837100    
 H    1.156400      -1.514600      0.9843000    
 H    1.014000      -1.928200     -0.7253000    
 H   0.1557000       1.936700      -2.338000    
 H   0.6841000       2.393200     -0.7149000    
 H    1.823700       1.372400       1.238900    
 H    5.290200     -0.7416000      0.4677000    
 H   -1.283300      -2.128200      0.9968000    
 H   -2.137800       2.182900      -1.300600    
 H   -4.914900      -1.824800     -0.6815000    
 H   -5.247400      -2.782000      0.7787000    
 H   -3.765600      -3.096600     -0.1512000    
 H   -4.634100       1.389600       1.736800    
 H   -5.690900       2.235700      0.5851000    
 H   -4.021600       2.802000      0.8150000    


%chk=000169701-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169701

0 1
O 3.867172 -1.739397 -1.321469
O 4.296628 1.348556 2.221473
O -3.723963 -1.384599 1.092290
O -4.225182 1.129725 -0.344104
N 2.484031 0.802614 0.768947
N 4.422219 -0.279302 0.469291
C 2.218334 -0.115384 -0.360564
C 1.882200 0.641621 -1.676786
C 1.090647 -1.136158 -0.063232
C 0.583115 1.460132 -1.528977
C -0.301304 -0.515165 -0.134219
C -0.546691 0.692966 -0.844981
C 3.583952 -0.837690 -0.496925
C 3.772657 0.716643 1.274967
C -1.383360 -1.178994 0.493756
C -1.863335 1.213448 -0.880639
C -2.695261 -0.672897 0.431906
C -2.934783 0.560548 -0.242660
C -4.785885 -1.904384 0.197416
C -4.835619 1.520409 0.949582
H 1.781887 -0.115627 -2.476162
H 2.720236 1.307873 -1.950881
H 1.255940 -1.591542 0.931017
H 1.188346 -1.950989 -0.808127
H 0.251635 1.797918 -2.528866
H 0.797522 2.386637 -0.956892
H 1.779778 1.398830 1.199652
H 5.394953 -0.546288 0.622347
H -1.224628 -2.118604 1.035112
H -2.078730 2.151406 -1.405455
H -5.262164 -1.084994 -0.370571
H -5.515913 -2.390380 0.862268
H -4.360529 -2.647884 -0.502858
H -4.904582 0.655553 1.633494
H -5.838526 1.896201 0.696535
H -4.239896 2.324702 1.421313


